SCHEMBL2395969

SCHEMBL2395969

[O]C(=O)N(c1ccccc1)C1CCCCC1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
KDM4E B2RXH2 2/20 0.66
MEN1 O00255 1/20 0.66
NPC1 O15118 1/20 0.66
MITF O75030 1/20 0.66
RAB9A P51151 1/20 0.66
KMT2A Q03164 1/20 0.66
PAX8 Q06710 1/20 0.66
TRPM8 Q7Z2W7 6/20 0.60
CHRM2 P08172 3/20 0.47
CHRM3 P20309 3/20 0.47
LMNA P02545 1/20 0.46
ESR1 P03372 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ATM Q13315 1/20 0.45
PKM P14618 1/20 0.45
ENPP2 Q13822 1/20 0.45
MLYCD O95822 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6215102 0.87 KDM4E (0.68) ALDH1A1SMN1; SMN2KDM4EMEN1NPC1
SCHEMBL11407980 0.85 MEN1 (0.65) ALDH1A1SMN1; SMN2KDM4EMEN1NPC1
SCHEMBL7107150 0.84 KDM4E (0.69) ALDH1A1SMN1; SMN2KDM4EMEN1NPC1
SCHEMBL11430874 0.84 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2KDM4EMEN1NPC1
SCHEMBL6601536 0.84 KDM4E (0.64) ALDH1A1SMN1; SMN2KDM4EMEN1NPC1
SCHEMBL4604800 0.84 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2KDM4EMEN1NPC1
SCHEMBL2712659 0.82 MEN1 (0.62) ALDH1A1SMN1; SMN2KDM4EMEN1NPC1
SCHEMBL7213531 0.82 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2KDM4EMEN1NPC1
SCHEMBL5992122 0.81 MITF (0.74) ALDH1A1SMN1; SMN2KDM4EMEN1NPC1
SCHEMBL7905910 0.81 MITF (0.74) ALDH1A1SMN1; SMN2KDM4EMEN1NPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200121652-A1 COMPOUNDS HAVING CASPASE INHIBITORY ACTIVITY, PHARMACEUTICAL AGENT CONTAINING SAID COMPOUNDS AND FOR TREATING OR PREVENTING CORNEAL ENDOTHELIAL SYMPTOMS, DISORDERS, OR DISEASES, AND APPLICATION OF SAID PHARMACEUTICAL AGENT THE DOSHISHA (JP) 2020-04-23 US disclosed
EP-3639855-A1 COMPOUNDS HAVING CASPASE INHIBITORY ACTIVITY, PHARMACEUTICAL AGENT CONTAINING SAID COMPOUNDS AND FOR TREATING OR PREVENTING CORNEAL ENDOTHELIAL SYMPTOMS, DISORDERS, OR DISEASES, AND APPLICATION OF SAID PHARMACEUTICAL AGENT The Doshisha (JP) 2020-04-22 EP disclosed
EP-1944290-B1 NOVEL 1-2-DIHYDROQUINOLINE DERIVATIVE HAVING GLUCOCORTICOID RECEPTOR BINDING ACTIVITY SANTEN PHARMACEUTICAL CO LTD (JP) 2013-12-04 EP disclosed
US-8420635-B2 Method for preventing or treating a glucocorticoid receptor-related disease SANTEN PHARMACEUTICAL CO., LTD. (JP) 2013-04-16 US disclosed
US-20110263589-A1 Method for preventing or treating a glucocorticoid receptor-related disease SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-10-27 US disclosed
US-8017775-B2 1-2-dihydroquinoline derivative having glucocorticoid receptor binding activity SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-09-13 US disclosed
US-20090326009-A1 Novel 1-2-Dihydroquinoline Derivative Having Glucocorticoid Receptor Binding Activity Santen Pharmaceutical Co., (JP) 2009-12-31 US disclosed
EP-1944290-A1 NOVEL 1-2-DIHYDROQUINOLINE DERIVATIVE HAVING GLUCOCORTICOID RECEPTOR BINDING ACTIVITY SANTEN PHARMACEUTICAL CO., LTD. (JP) 2008-07-16 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090326009-A1 Novel 1-2-Dihydroquinoline Derivative Having Glucocorticoid Receptor Binding Activity NR3C1, NR3C2, NR5A1 ALDH1A1 3569/4885SMN1; SMN2 3927/4885KDM4E 3839/4885
US-20200121652-A1 COMPOUNDS HAVING CASPASE INHIBITORY ACTIVITY, PHARMACEUTICAL AGENT CONTAINING SAID COMPOUNDS AND FOR TREATING OR PREVENTING CORNEAL ENDOTHELIAL SYMPTOMS, DISORDERS, OR DISEASES, AND APPLICATION OF SAID PHARMACEUTICAL AGENT TGFB1, CASP3, TGFB2 ALDH1A1 2350/4885SMN1; SMN2 2870/4885KDM4E 3202/4885
US-20110263589-A1 Method for preventing or treating a glucocorticoid receptor-related disease NR3C1, NR3C2, NR5A1 ALDH1A1 3037/4885SMN1; SMN2 776/4885KDM4E 4659/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.